5-[(3-chloroanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3-chloroanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3-chloroanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0198 |
| Compound Name: | 5-[(3-chloroanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 381.82 |
| Molecular Formula: | C19 H16 Cl N5 O2 |
| Smiles: | COc1ccc(cc1)c1nc2NC(CNc3cccc(c3)[Cl])=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8784 |
| logD: | 3.6753 |
| logSw: | -4.3579 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.119 |
| InChI Key: | WHERUOKOXUEAJR-UHFFFAOYSA-N |